UCSF

ZINC12900561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 34 Yes

Popular Name: 2-[[4-(4-ethoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[3,2-e] 2-[[4-(4-ethoxy-3-methoxy-benzoy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 10.58 -70.77 2 8 1 89 483.614 6 ↓
Mid Mid (pH 6-8) 2.30 8.52 -20.68 1 8 0 88 482.606 6 ↓
Mid Mid (pH 6-8) 2.30 10.71 -67.41 2 8 1 89 483.614 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )